SCHEMBL31031531

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	6/20	0.45

▸	XIAP	P98170	1/20	0.45

▸	CTSD	P07339	2/20	0.43

▸	BACE1	P56817	2/20	0.43

▸	AGTR1	P30556	2/20	0.40

▸	AGTR2	P50052	1/20	0.40

▸	ELANE	P08246	2/20	0.40

▸	GRB2	P62993	1/20	0.39

▸	STAT3	P40763	1/20	0.38

▸	RAMP1	O60894	1/20	0.38

▸	DPP4	P27487	1/20	0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL31031606	0.90	KEAP1 (0.43)	CALCRLXIAPCTSDBACE1AGTR1
SCHEMBL30185042	0.85	XIAP (0.48)	CALCRLXIAPELANEGRB2
SCHEMBL31031623	0.85	KDM1A (0.43)	XIAP
SCHEMBL32667960	0.83	BACE1 (0.51)	CALCRLXIAPCTSDBACE1
SCHEMBL29379784	0.83	DPP4 (0.52)	XIAPDPP4
SCHEMBL30844353	0.83	CALCRL (0.46)	CALCRLXIAPCTSDBACE1ELANE
SCHEMBL29630700	0.83	GRB2 (0.44)	XIAPCTSDGRB2STAT3
SCHEMBL29454515	0.83	XIAP (0.49)	CALCRLXIAPELANERAMP1DPP4
SCHEMBL29454468	0.83	XIAP (0.49)	CALCRLXIAPELANERAMP1DPP4
SCHEMBL23135343	0.82	XIAP (0.53)	CALCRLXIAPELANEGRB2DPP4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2024132725-A1	SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE	UNIWERSYTET GDANSKI (PL)	2024-06-27	—	—	WO	disclosed